SCHEMBL7868066

SCHEMBL7868066

N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1nccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.66
HDAC6 Q9UBN7 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DPP8 Q6V1X1 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
PKM P14618 1/20 0.50
DPP4 P27487 2/20 0.49
DPP9 Q86TI2 2/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HSPA1A P0DMV8 1/20 0.47
HSPA5 P11021 1/20 0.47
HSPA9 P38646 1/20 0.47
HSPA2 P54652 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7382201 0.97 ANPEP (0.71) ANPEPHDAC6SMN1; SMN2L3MBTL1DPP8
SCHEMBL5057161 0.84 ANPEP (0.54) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL7879190 0.81 PKM (0.54) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL7383594 0.81 ANPEP (0.65) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL28341559 0.81 ANPEP (0.62) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL17646395 0.81 ANPEP (0.62) ANPEPHDAC6DPP8DPP7DPP4
Hydrochloric Acid SCHEMBL28344079 0.80 ANPEP (0.61) ANPEPHDAC6DPP8DPP7DPP4
Hydrochloric Acid SCHEMBL17646405 0.80 ANPEP (0.61) ANPEPHDAC6DPP8DPP7DPP4
SCHEMBL7873419 0.80 ANPEP (1.00) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL7876536 0.79 HDAC6 (0.51) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed